3-(azepan-1-yl)-6-methyl-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
3-(azepan-1-yl)-6-methyl-4H-1-benzothiopyran-4-one
3-(azepan-1-yl)-6-methyl-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G617-0047 |
| Compound Name: | 3-(azepan-1-yl)-6-methyl-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 273.39 |
| Molecular Formula: | C16 H19 N O S |
| Smiles: | Cc1ccc2c(c1)C(C(=CS2)N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3639 |
| logD: | 4.3171 |
| logSw: | -4.207 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 16.8158 |
| InChI Key: | MJNXZPINQOLSFJ-UHFFFAOYSA-N |